(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C151H178Cl2F3N21O14 — CID 160941008

IUPAC(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1-c1ccc(F)cc1.CC(C)(O)c1ccc2nc(NC(=O)C3CC34CC4)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)C3CC34CCC4)n(C3CCC3)c2c1.CC1(F)CCC(C(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2CCC2)C1.CCC(O)(CC)c1ccc2nc(NC(=O)C3CC34CC4)n(C3CCC3)c2c1.C[C@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1-c1ccc(F)cc1)c1ccccc1.Cc1ccc([C@@](C)(O)CC(=O)Nc2nc3ccc(Cl)cc3n2C2CCC2)cc1
InChIInChI=1S/C23H19ClFN3O2.C22H24ClN3O2.C22H26FN3O2.C22H29N3O2.C21H28FN3O2.C21H27N3O2.C20H25N3O2/c1-23(30,15-5-3-2-4-6-15)14-21(29)27-22-26-19-12-7-16(24)13-20(19)28(22)18-10-8-17(25)9-11-18;1-14-6-8-15(9-7-14)22(2,28)13-20(27)25-21-24-18-11-10-16(23)12-19(18)26(21)17-4-3-5-17;1-21(2,3)13-19(27)25-20-24-17-11-6-14(22(4,5)28)12-18(17)26(20)16-9-7-15(23)8-10-16;1-3-22(27,4-2)14-8-9-17-18(12-14)25(15-6-5-7-15)20(23-17)24-19(26)16-13-21(16)10-11-21;1-20(2,27)14-7-8-16-17(11-14)25(15-5-4-6-15)19(23-16)24-18(26)13-9-10-21(3,22)12-13;1-20(2,26)13-7-8-16-17(11-13)24(14-5-3-6-14)19(22-16)23-18(25)15-12-21(15)9-4-10-21;1-19(2,25)12-6-7-15-16(10-12)23(13-4-3-5-13)18(21-15)22-17(24)14-11-20(14)8-9-20/h2-13,30H,14H2,1H3,(H,26,27,29);6-12,17,28H,3-5,13H2,1-2H3,(H,24,25,27);6-12,28H,13H2,1-5H3,(H,24,25,27);8-9,12,15-16,27H,3-7,10-11,13H2,1-2H3,(H,23,24,26);7-8,11,13,15,27H,4-6,9-10,12H2,1-3H3,(H,23,24,26);7-8,11,14-15,26H,3-6,9-10,12H2,1-2H3,(H,22,23,25);6-7,10,13-14,25H,3-5,8-9,11H2,1-2H3,(H,21,22,24)/t23-;22-;;;;;/m00...../s1
InChIKeySUMWIRCLFHLVPJ-IDUNJQFOSA-N
MW2639.12 g/mol
LogP31.59
Rot. Bonds32

About (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 160941008) has the molecular formula C151H178Cl2F3N21O14 and a molecular weight of 2639.12 g/mol. Its IUPAC name is (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID160941008
Molecular FormulaC151H178Cl2F3N21O14
Molecular Weight2639.12 g/mol
Exact Mass2636.32
IUPAC Name(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1-c1ccc(F)cc1.CC(C)(O)c1ccc2nc(NC(=O)C3CC34CC4)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)C3CC34CCC4)n(C3CCC3)c2c1.CC1(F)CCC(C(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2CCC2)C1.CCC(O)(CC)c1ccc2nc(NC(=O)C3CC34CC4)n(C3CCC3)c2c1.C[C@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1-c1ccc(F)cc1)c1ccccc1.Cc1ccc([C@@](C)(O)CC(=O)Nc2nc3ccc(Cl)cc3n2C2CCC2)cc1
InChIInChI=1S/C23H19ClFN3O2.C22H24ClN3O2.C22H26FN3O2.C22H29N3O2.C21H28FN3O2.C21H27N3O2.C20H25N3O2/c1-23(30,15-5-3-2-4-6-15)14-21(29)27-22-26-19-12-7-16(24)13-20(19)28(22)18-10-8-17(25)9-11-18;1-14-6-8-15(9-7-14)22(2,28)13-20(27)25-21-24-18-11-10-16(23)12-19(18)26(21)17-4-3-5-17;1-21(2,3)13-19(27)25-20-24-17-11-6-14(22(4,5)28)12-18(17)26(20)16-9-7-15(23)8-10-16;1-3-22(27,4-2)14-8-9-17-18(12-14)25(15-6-5-7-15)20(23-17)24-19(26)16-13-21(16)10-11-21;1-20(2,27)14-7-8-16-17(11-14)25(15-5-4-6-15)19(23-16)24-18(26)13-9-10-21(3,22)12-13;1-20(2,26)13-7-8-16-17(11-13)24(14-5-3-6-14)19(22-16)23-18(25)15-12-21(15)9-4-10-21;1-19(2,25)12-6-7-15-16(10-12)23(13-4-3-5-13)18(21-15)22-17(24)14-11-20(14)8-9-20/h2-13,30H,14H2,1H3,(H,26,27,29);6-12,17,28H,3-5,13H2,1-2H3,(H,24,25,27);6-12,28H,13H2,1-5H3,(H,24,25,27);8-9,12,15-16,27H,3-7,10-11,13H2,1-2H3,(H,23,24,26);7-8,11,13,15,27H,4-6,9-10,12H2,1-3H3,(H,23,24,26);7-8,11,14-15,26H,3-6,9-10,12H2,1-2H3,(H,22,23,25);6-7,10,13-14,25H,3-5,8-9,11H2,1-2H3,(H,21,22,24)/t23-;22-;;;;;/m00...../s1
InChIKeySUMWIRCLFHLVPJ-IDUNJQFOSA-N
XLogP31.59
TPSA470.05 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002639.12
LogP ≤ 531.59
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Analyze (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 157258571
N-[1-(cyclobutadienyl)-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide
CID 118938398
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
bis(N-(1-tert-butyl-6-isocyano-5-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);bis(N-(1-cyclobutyl-7-fluoro-5-methylbenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-isocyano-5-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide;4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
CID 160678768
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118938346
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359620
N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 118938318
(3S)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359652
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 137393658
(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 159761719
N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 139487147
(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 118941523

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 160941008) is (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1-c1ccc(F)cc1.CC(C)(O)c1ccc2nc(NC(=O)C3CC34CC4)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)C3CC34CCC4)n(C3CCC3)c2c1.CC1(F)CCC(C(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2CCC2)C1.CCC(O)(CC)c1ccc2nc(NC(=O)C3CC34CC4)n(C3CCC3)c2c1.C[C@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1-c1ccc(F)cc1)c1ccccc1.Cc1ccc([C@@](C)(O)CC(=O)Nc2nc3ccc(Cl)cc3n2C2CCC2)cc1.
What is the InChIKey of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is SUMWIRCLFHLVPJ-IDUNJQFOSA-N. The full InChI is InChI=1S/C23H19ClFN3O2.C22H24ClN3O2.C22H26FN3O2.C22H29N3O2.C21H28FN3O2.C21H27N3O2.C20H25N3O2/c1-23(30,15-5-3-2-4-6-15)14-21(29)27-22-26-19-12-7-16(24)13-20(19)28(22)18-10-8-17(25)9-11-18;1-14-6-8-15(9-7-14)22(2,28)13-20(27)25-21-24-18-11-10-16(23)12-19(18)26(21)17-4-3-5-17;1-21(2,3)13-19(27)25-20-24-17-11-6-14(22(4,5)28)12-18(17)26(20)16-9-7-15(23)8-10-16;1-3-22(27,4-2)14-8-9-17-18(12-14)25(15-6-5-7-15)20(23-17)24-19(26)16-13-21(16)10-11-21;1-20(2,27)14-7-8-16-17(11-14)25(15-5-4-6-15)19(23-16)24-18(26)13-9-10-21(3,22)12-13;1-20(2,26)13-7-8-16-17(11-13)24(14-5-3-6-14)19(22-16)23-18(25)15-12-21(15)9-4-10-21;1-19(2,25)12-6-7-15-16(10-12)23(13-4-3-5-13)18(21-15)22-17(24)14-11-20(14)8-9-20/h2-13,30H,14H2,1H3,(H,26,27,29);6-12,17,28H,3-5,13H2,1-2H3,(H,24,25,27);6-12,28H,13H2,1-5H3,(H,24,25,27);8-9,12,15-16,27H,3-7,10-11,13H2,1-2H3,(H,23,24,26);7-8,11,13,15,27H,4-6,9-10,12H2,1-3H3,(H,23,24,26);7-8,11,14-15,26H,3-6,9-10,12H2,1-2H3,(H,22,23,25);6-7,10,13-14,25H,3-5,8-9,11H2,1-2H3,(H,21,22,24)/t23-;22-;;;;;/m00...../s1.
What are the key properties of (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 2639.12 g/mol, XLogP of 31.59, 32 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 160941008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).